1,3-oxazole-5-carboximidamide

C4H5N3O — CID 54449656

IUPAC1,3-oxazole-5-carboximidamide
SMILES[H]/N=C(\N)c1cnco1
InChIInChI=1S/C4H5N3O/c5-4(6)3-1-7-2-8-3/h1-2H,(H3,5,6)
InChIKeyQJGFXHMMQLBFSV-UHFFFAOYSA-N
MW111.10 g/mol
LogP-0.04
Rot. Bonds1

About 1,3-oxazole-5-carboximidamide

1,3-oxazole-5-carboximidamide (PubChem CID 54449656) has the molecular formula C4H5N3O and a molecular weight of 111.10 g/mol. Its IUPAC name is 1,3-oxazole-5-carboximidamide.

Molecular Properties

Compound Name1,3-oxazole-5-carboximidamide
PubChem CID54449656
Molecular FormulaC4H5N3O
Molecular Weight111.10 g/mol
Exact Mass111.04
IUPAC Name1,3-oxazole-5-carboximidamide
SMILES[H]/N=C(\N)c1cnco1
InChIInChI=1S/C4H5N3O/c5-4(6)3-1-7-2-8-3/h1-2H,(H3,5,6)
InChIKeyQJGFXHMMQLBFSV-UHFFFAOYSA-N
XLogP-0.04
TPSA75.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.10
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-oxazole-5-carboximidamide?
The IUPAC name of 1,3-oxazole-5-carboximidamide (CID 54449656) is 1,3-oxazole-5-carboximidamide.
What is the SMILES notation for 1,3-oxazole-5-carboximidamide?
The canonical SMILES for 1,3-oxazole-5-carboximidamide is [H]/N=C(\N)c1cnco1.
What is the InChIKey of 1,3-oxazole-5-carboximidamide?
The InChIKey is QJGFXHMMQLBFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O/c5-4(6)3-1-7-2-8-3/h1-2H,(H3,5,6).
What are the key properties of 1,3-oxazole-5-carboximidamide?
1,3-oxazole-5-carboximidamide has a molecular weight of 111.10 g/mol, XLogP of -0.04, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazole-5-carboximidamide is sourced from PubChem (CID 54449656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).